[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-bromanylbenzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-bromanylbenzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C13H13BrN2O3 MolecularWeight: 325.15792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C13H13BrN2O3/c1-16(8-4-7-15)12(17)9-19-13(18)10-5-2-3-6-11(10)14/h2-3,5-6H,4,8-9H2,1H3